(3aR,7S,7aS)-2-(3-chloranyl-4-fluoranyl-phenyl)-7-[2-(3,5-dimethoxy-4-oxidanyl-phenyl)ethenyl]-6-ethenyl-7a-methyl-4,7-dihydro-3aH-isoindole-1,3-dione

Systemtic Name: (3aR,7S,7aS)-2-(3-chloranyl-4-fluoranyl-phenyl)-7-[2-(3,5-dimethoxy-4-oxidanyl-phenyl)ethenyl]-6-ethenyl-7a-methyl-4,7-dihydro-3aH-isoindole-1,3-dione Openeye Name: (3aR,7S,7aS)-2-(3-chloro-4-fluoro-phenyl)-7-[2-(4-hydroxy-3,5-dimethoxy-phenyl)vinyl]-7a-methyl-6-vinyl-4,7-dihydro-3aH-isoindole-1,3-dione CAS Name: (3aR,7S,7aS)-2-(3-chloro-4-fluorophenyl)-6-ethenyl-7-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-7a-methyl-4,7-dihydro-3aH-isoindole-1,3-dione IUPAC Name: (3aR,7S,7aS)-2-(3-chloro-4-fluorophenyl)-6-ethenyl-7-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-7a-methyl-4,7-dihydro-3aH-isoindole-1,3-dione Traditional Name: (3aR,7S,7aS)-2-(3-chloro-4-fluoro-phenyl)-7-[2-(4-hydroxy-3,5-dimethoxy-phenyl)vinyl]-7a-methyl-6-vinyl-4,7-dihydro-3aH-isoindole-1,3-quinone Formula: C27H25ClFNO5 MolecularWeight: 497.942503

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(CC=C(C1C=CC3=CC(=C(C(=C3)OC)O)OC)C=C)C(=O)N(C2=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C[C@@]12[C@@H](CC=C([C@@H]1C=CC3=CC(=C(C(=C3)OC)O)OC)C=C)C(=O)N(C2=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C27H25ClFNO5/c1-5-16-7-10-19-25(32)30(17-8-11-21(29)20(28)14-17)26(33)27(19,2)18(16)9-6-15-12-22(34-3)24(31)23(13-15)35-4/h5-9,11-14,18-19,31H,1,10H2,2-4H3/t18-,19-,27-/m0/s1